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512823-85-7 | 3-isobutyl-2-thioxo-imidazolidin-4-one
CAS No: 512823-85-7 Catalog No: AG019D5F MDL No:MFCD03422806
Product Description
Catalog Number:
AG019D5F
Chemical Name:
3-isobutyl-2-thioxo-imidazolidin-4-one
CAS Number:
512823-85-7
Molecular Formula:
C7H12N2OS
Molecular Weight:
172.2480
MDL Number:
MFCD03422806
IUPAC Name:
3-(2-methylpropyl)-2-sulfanylideneimidazolidin-4-one
InChI:
InChI=1S/C7H12N2OS/c1-5(2)4-9-6(10)3-8-7(9)11/h5H,3-4H2,1-2H3,(H,8,11)
InChI Key:
MNYCMOFXDCBGPY-UHFFFAOYSA-N
SMILES:
CC(CN1C(=NCC1=O)S)C
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.067g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
172.246g/mol
Monoisotopic Mass:
172.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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